
 CHEMBL3673026

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.3194    1.6688    2.9023 C   0  0  0  0  0
    3.3697    2.1861    1.9353 C   0  0  0  0  0
    3.8104    1.0832    1.1424 O   0  0  0  0  0
    4.8812    1.3901    0.3274 C   0  0  0  0  0
    5.3051    2.6652    0.2115 N   0  0  0  0  0
    6.3673    2.8859   -0.5932 C   0  0  0  0  0
    7.0416    1.8840   -1.2661 C   0  0  0  0  0
    6.5924    0.5737   -1.1056 C   0  0  0  0  0
    5.4698    0.3205   -0.3187 C   0  0  0  0  0
    7.3365   -0.5274   -1.7783 C   0  0  0  0  0
    7.8992   -0.2874   -2.8397 O   0  0  0  0  0
    7.3537   -1.7201   -1.0793 N   0  0  0  0  0
    7.9595   -2.9340   -1.4605 C   0  0  0  0  0
    8.5808   -3.1514   -2.6862 C   0  0  0  0  0
    9.1717   -4.3876   -2.9565 C   0  0  0  0  0
    9.1704   -5.4331   -2.0247 C   0  0  0  0  0
    8.5224   -5.2099   -0.8044 C   0  0  0  0  0
    7.9222   -3.9775   -0.5282 C   0  0  0  0  0
    9.8729   -6.7363   -2.3573 C   0  0  0  0  0
   10.7512   -7.3332   -1.2194 C   0  0  0  0  0
   10.0113   -8.1113   -0.2053 N   0  0  0  0  0
    9.1729   -9.1023   -0.8952 C   0  0  0  0  0
    8.2429   -8.4425   -1.9210 C   0  0  0  0  0
    8.9678   -7.7091   -2.9128 O   0  0  0  0  0
    9.7813   -4.5515   -4.1404 F   0  0  0  0  0
    1.9411    2.4755    3.5360 H   0  0  0  0  0
    2.7398    0.8853    3.5421 H   0  0  0  0  0
    1.4809    1.2201    2.3596 H   0  0  0  0  0
    4.2020    2.6070    2.5127 H   0  0  0  0  0
    2.9279    2.9586    1.2953 H   0  0  0  0  0
    6.6775    3.9237   -0.6783 H   0  0  0  0  0
    7.9009    2.1142   -1.8882 H   0  0  0  0  0
    5.0475   -0.6700   -0.2042 H   0  0  0  0  0
    6.9575   -1.7146   -0.1483 H   0  0  0  0  0
    8.6330   -2.3878   -3.4545 H   0  0  0  0  0
    8.4800   -5.9887   -0.0465 H   0  0  0  0  0
    7.4352   -3.8485    0.4353 H   0  0  0  0  0
   10.5778   -6.5174   -3.1697 H   0  0  0  0  0
   11.3180   -6.5392   -0.7196 H   0  0  0  0  0
   11.4863   -8.0091   -1.6761 H   0  0  0  0  0
   10.6788   -8.5934    0.3966 H   0  0  0  0  0
    9.8198   -9.8314   -1.3982 H   0  0  0  0  0
    8.5763   -9.6438   -0.1539 H   0  0  0  0  0
    7.6756   -9.2192   -2.4447 H   0  0  0  0  0
    7.5114   -7.7877   -1.4362 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 24  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3673026

>  <PubChem CID>
71086860

>  <Formula>
C18H20FN3O3

>  <Molecular Weight>
345.374000

>  <IUPAC Name>
2-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=NC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3CNCCO3)F

>  <Isomeric SMILES>
CCOC1=NC=CC(=C1)C(=O)NC2=CC(=C(C=C2)[C@@H]3CNCCO3)F

>  <InChI Std. ID>
InChI=1S/C18H20FN3O3/c1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m0/s1

>  <InChI Key>
AOTQIDPOBHBGSP-INIZCTEOSA-N

